#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt s LEU 2 N 0.00 4.25 -0.03 4.03 1.98 -1.26 -5.02 118.68 122.63 2krt s LEU 2 Ca 0.00 1.79 -0.01 0.00 -2.89 0.00 0.00 54.13 53.02 2krt s LEU 2 Cb 0.00 -3.55 0.03 0.00 0.66 0.00 0.00 46.19 43.33 2krt s LEU 2 CO 0.00 -0.63 0.04 -0.55 -1.89 0.00 0.00 176.35 173.31 2krt s SER 3 N 1.62 0.70 -0.30 3.68 0.15 -1.26 -5.04 113.70 113.26 2krt s SER 3 Ca 0.56 0.04 0.11 0.00 0.70 0.00 0.00 55.95 57.36 2krt s SER 3 Cb -0.24 -0.14 0.78 0.00 -1.71 0.00 0.00 66.02 64.71 2krt s SER 3 CO 0.20 -0.18 1.80 0.00 1.20 0.00 0.00 173.24 176.25 2krt n GLN 4 N 4.75 4.20 -2.42 5.44 6.02 -1.26 -4.85 117.38 129.26 2krt n GLN 4 Ca -0.15 -3.13 -0.39 0.00 -0.01 0.00 0.00 57.00 53.31 2krt n GLN 4 Cb 0.50 -2.25 -0.04 0.00 1.02 0.00 0.00 30.24 29.48 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2krt s ALA 5 N -2.92 3.32 0.28 -1.58 0.00 -1.26 -4.95 121.76 114.65 2krt s ALA 5 Ca 0.55 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.43 2krt s ALA 5 Cb 0.44 -3.34 0.54 0.00 0.00 0.00 0.00 23.12 20.76 2krt s ALA 5 CO 0.15 -0.28 1.83 -0.91 0.00 0.00 0.00 175.76 176.54 2krt h ASN 6 N 3.34 0.89 -0.62 0.00 -0.26 -2.01 -2.00 115.58 114.91 2krt h ASN 6 Ca -0.48 0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.28 2krt h ASN 6 Cb 1.22 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 38.32 2krt h ASN 6 CO 0.65 0.47 0.28 1.05 -1.06 0.00 0.00 177.43 178.82 2krt h GLU 7 N 0.96 0.94 -0.46 0.81 4.11 -1.99 -2.65 114.58 116.30 2krt h GLU 7 Ca 0.49 -0.14 -0.08 0.00 0.07 0.00 0.00 59.36 59.70 2krt h GLU 7 Cb 0.50 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2krt h GLU 7 CO -0.27 0.75 -0.02 -0.44 0.07 0.00 0.00 179.01 179.10 2krt h ASP 8 N 0.93 0.74 0.24 3.06 3.32 -1.72 0.30 116.42 123.30 2krt h ASP 8 Ca 0.22 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2krt h ASP 8 Cb 0.15 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2krt h ASP 8 CO -0.02 0.83 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.95 2krt h PHE 9 N 0.72 -0.29 -0.31 4.55 0.04 -1.40 -2.35 116.94 117.89 2krt h PHE 9 Ca 0.14 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 2krt h PHE 9 Cb 0.47 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 2krt h PHE 9 CO 0.02 -0.05 -0.06 1.57 -0.60 0.00 0.00 178.31 179.20 2krt h LYS 10 N -0.51 0.50 -0.40 1.51 2.10 -1.41 -2.93 116.57 115.43 2krt h LYS 10 Ca -0.03 -0.12 0.07 0.00 -2.00 0.00 0.00 60.65 58.56 2krt h LYS 10 Cb 0.38 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 31.59 2krt h LYS 10 CO 0.05 0.57 0.05 -0.22 -2.00 0.00 0.00 179.45 177.90 2krt h LYS 11 N 0.47 0.16 -0.85 0.07 3.64 -0.26 -0.64 116.57 119.16 2krt h LYS 11 Ca 0.09 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2krt h LYS 11 Cb 0.40 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 2krt h LYS 11 CO 0.02 0.11 0.52 0.82 -2.27 0.00 0.00 179.45 178.65 2krt h ILE 12 N 0.17 1.03 -0.77 2.00 2.04 -1.24 0.17 117.51 120.91 2krt h ILE 12 Ca 0.20 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2krt h ILE 12 Cb 0.26 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2krt h ILE 12 CO -0.29 0.17 0.32 0.58 0.00 0.00 0.00 178.15 178.94 2krt h VAL 13 N 0.95 1.26 0.00 1.67 2.07 -1.20 -2.46 116.25 118.54 2krt h VAL 13 Ca 0.37 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2krt h VAL 13 Cb 0.19 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2krt h VAL 13 CO -0.18 0.32 -0.13 0.78 0.02 0.00 0.00 177.57 178.39 2krt h ASN 14 N 1.12 0.00 -0.57 0.57 2.35 -0.70 -3.23 115.58 115.12 2krt h ASN 14 Ca 0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2krt h ASN 14 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2krt h ASN 14 CO -0.02 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.35 2krt n ASN 15 N -2.83 3.37 -4.75 5.81 3.02 0.56 -4.96 115.26 115.48 2krt n ASN 15 Ca 0.04 -2.11 -0.41 0.00 -0.03 0.00 0.00 54.58 52.06 2krt n ASN 15 Cb 0.51 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2krt s ILE 16 N -1.39 2.08 0.01 2.41 1.01 -0.96 -4.85 121.20 119.51 2krt s ILE 16 Ca 0.40 0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2krt s ILE 16 Cb 0.22 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2krt s ILE 16 CO 0.24 0.01 -0.02 -0.60 0.00 0.00 0.00 174.94 174.58 2krt s ARG 17 N -0.45 0.18 0.00 2.79 6.06 -1.26 -4.97 118.95 121.30 2krt s ARG 17 Ca 0.63 -0.33 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 2krt s ARG 17 Cb -0.48 0.05 0.00 0.00 0.06 0.00 0.00 34.95 34.58 2krt s ARG 17 CO 0.47 -0.02 0.33 1.47 -2.50 0.00 0.00 175.30 175.05 2krt n LEU 18 N 2.28 0.71 0.13 -0.88 -0.00 -1.26 -1.63 117.00 116.35 2krt n LEU 18 Ca -0.18 -0.36 0.00 0.00 -0.00 0.00 0.00 56.01 55.47 2krt n LEU 18 Cb 0.57 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2krt n LEU 18 CO 0.23 0.16 0.00 1.17 -0.00 0.00 0.00 177.39 178.95 2krt n LYS 19 N 0.25 0.00 0.06 1.47 3.00 -0.95 -4.44 118.16 117.56 2krt n LYS 19 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 2krt n LYS 19 Cb 0.16 0.00 0.49 0.00 0.00 0.00 0.00 35.03 35.69 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2krt h ASP 20 N 0.00 0.33 0.00 3.14 3.58 -1.96 -3.32 116.42 118.18 2krt h ASP 20 Ca 0.00 -0.01 -0.41 0.00 0.42 0.00 0.00 57.03 57.03 2krt h ASP 20 Cb 0.00 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 40.91 2krt h ASP 20 CO 0.00 0.24 -2.40 0.41 -2.88 0.00 0.00 179.24 174.60 2krt n THR 21 N -4.49 1.38 -3.67 2.25 -1.04 -0.64 -4.66 114.28 103.42 2krt n THR 21 Ca 0.02 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 61.51 2krt n THR 21 Cb 0.10 -1.76 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 2krt n THR 21 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2krt s PHE 22 N -2.46 -0.33 -0.37 -1.42 -0.71 -1.04 -0.31 117.98 111.34 2krt s PHE 22 Ca -0.35 0.45 -0.08 0.00 -1.04 0.00 0.00 56.93 55.92 2krt s PHE 22 Cb 0.13 0.22 0.05 0.00 -1.21 0.00 0.00 43.02 42.20 2krt s PHE 22 CO 0.46 -0.51 0.16 0.34 -1.34 0.00 0.00 175.22 174.33 2krt s ASP 23 N -1.56 5.48 -0.16 1.98 2.15 0.49 -2.25 116.67 122.80 2krt s ASP 23 Ca -0.10 -1.22 -0.20 0.00 0.43 0.00 0.00 52.55 51.46 2krt s ASP 23 Cb -0.02 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 2krt s ASP 23 CO 0.03 -0.39 0.60 0.72 -0.17 0.00 0.00 175.17 175.96 2krt s PHE 24 N 1.43 3.43 -0.20 -5.34 -0.71 -1.26 -1.35 117.98 113.98 2krt s PHE 24 Ca 0.00 0.95 -0.08 0.00 -1.04 0.00 0.00 56.93 56.77 2krt s PHE 24 Cb -0.20 -2.74 -0.04 0.00 -1.21 0.00 0.00 43.02 38.83 2krt s PHE 24 CO 0.03 -0.06 0.07 0.21 -1.34 0.00 0.00 175.22 174.13 2krt s LYS 25 N 1.47 3.93 -0.03 1.99 2.20 -0.05 -4.91 119.74 124.33 2krt s LYS 25 Ca 0.29 -0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 55.31 2krt s LYS 25 Cb -0.16 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2krt s LYS 25 CO 0.11 0.18 0.69 -0.51 -0.36 0.00 0.00 175.35 175.46 2krt s LEU 26 N 0.64 4.36 0.48 5.43 2.01 -1.21 -0.54 118.68 129.84 2krt s LEU 26 Ca 0.04 1.23 0.17 0.00 0.01 0.00 0.00 54.13 55.58 2krt s LEU 26 Cb -0.13 -3.08 1.15 0.00 0.01 0.00 0.00 46.19 44.14 2krt s LEU 26 CO 0.01 -0.05 2.04 0.00 1.01 0.00 0.00 176.35 179.37 2krt h ALA 27 N 6.34 1.67 0.03 4.21 0.00 -1.25 -2.02 119.26 128.24 2krt h ALA 27 Ca -0.42 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 2krt h ALA 27 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2krt h ALA 27 CO 0.73 0.18 -1.09 0.00 0.00 0.00 0.00 179.25 179.07 2krt h ALA 28 N 1.86 0.30 -2.67 0.00 0.00 -1.83 -3.42 119.26 113.50 2krt h ALA 28 Ca -0.00 -0.93 -0.58 0.00 0.00 0.00 0.00 54.91 53.40 2krt h ALA 28 Cb 0.26 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.57 2krt h ALA 28 CO 0.02 1.19 -0.82 -0.06 0.00 0.00 0.00 179.25 179.58 2krt s PHE 29 N -2.69 0.94 0.45 0.00 0.08 -0.82 -5.01 117.98 110.94 2krt s PHE 29 Ca -0.01 -1.74 0.14 0.00 0.12 0.00 0.00 56.93 55.44 2krt s PHE 29 Cb 0.09 -1.10 1.00 0.00 -0.57 0.00 0.00 43.02 42.44 2krt s PHE 29 CO 0.84 -0.82 1.99 -1.00 -0.10 0.00 0.00 175.22 176.13 2krt h PRO 30 N 7.03 0.02 -3.03 0.24 0.13 -1.66 -3.21 132.00 131.51 2krt h PRO 30 Ca 0.04 -0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.54 2krt h PRO 30 Cb 0.96 -0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.68 2krt h PRO 30 CO 0.31 0.19 -0.68 -0.80 -0.23 0.00 0.00 178.00 176.79 2krt s ASN 31 N -7.00 4.00 0.12 1.44 0.01 -1.26 -4.68 114.94 107.57 2krt s ASN 31 Ca -0.04 -3.30 0.05 0.00 -0.71 0.00 0.00 52.86 48.85 2krt s ASN 31 Cb 0.16 -1.34 -0.04 0.00 0.41 0.00 0.00 41.25 40.44 2krt s ASN 31 CO 0.70 -0.17 -0.11 0.00 -1.51 0.00 0.00 177.10 176.01 2krt s GLN 32 N -0.61 0.96 -0.53 -0.60 1.03 -1.25 -5.12 119.66 113.54 2krt s GLN 32 Ca 0.23 -1.26 -0.16 0.00 0.04 0.00 0.00 55.36 54.20 2krt s GLN 32 Cb -0.12 -0.67 0.11 0.00 0.03 0.00 0.00 33.01 32.36 2krt s GLN 32 CO -0.10 0.11 0.52 -0.80 -2.54 0.00 0.00 175.29 172.47 2krt s ASN 33 N -2.64 6.18 0.17 12.60 0.01 -1.26 -4.90 114.94 125.11 2krt s ASN 33 Ca 0.09 -1.60 0.10 0.00 -0.71 0.00 0.00 52.86 50.74 2krt s ASN 33 Cb -0.02 -2.22 0.56 0.00 0.41 0.00 0.00 41.25 39.97 2krt s ASN 33 CO 0.01 -0.86 1.27 0.00 -1.51 0.00 0.00 177.10 176.01 2krt n TYR 34 N 5.45 0.35 0.59 2.20 0.18 -1.26 -0.26 117.16 124.40 2krt n TYR 34 Ca -0.13 0.18 0.07 0.00 1.88 0.00 0.00 57.90 59.90 2krt n TYR 34 Cb 0.41 -0.73 0.19 0.00 -0.38 0.00 0.00 39.34 38.84 2krt n TYR 34 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2krt n ASP 35 N -1.84 2.38 0.00 9.48 2.03 -1.26 -4.00 116.55 123.34 2krt n ASP 35 Ca -0.01 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2krt n ASP 35 Cb 0.09 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krt n GLN 36 N 0.75 0.00 -1.74 -0.67 1.13 0.64 -4.43 117.38 113.06 2krt n GLN 36 Ca 0.15 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.79 2krt n GLN 36 Cb 0.38 -0.27 -0.02 0.00 0.11 0.00 0.00 30.24 30.44 2krt n GLN 36 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2krt n LEU 37 N -1.91 4.37 -4.75 1.08 7.99 -0.10 -4.82 117.00 118.87 2krt n LEU 37 Ca 0.00 1.13 -0.39 0.00 -0.01 0.00 0.00 56.01 56.75 2krt n LEU 37 Cb 0.00 -1.60 0.04 0.00 -0.11 0.00 0.00 43.42 41.75 2krt n LEU 37 CO 0.00 0.19 0.99 -0.76 -1.51 0.00 0.00 177.39 176.30 2krt s LEU 38 N -0.24 3.90 0.26 2.23 1.43 -1.26 -4.82 118.68 120.17 2krt s LEU 38 Ca 0.66 2.77 -0.08 0.00 -1.03 0.00 0.00 54.13 56.45 2krt s LEU 38 Cb -0.49 -4.22 0.44 0.00 0.03 0.00 0.00 46.19 41.95 2krt s LEU 38 CO 0.46 -1.49 1.60 -0.65 0.23 0.00 0.00 176.35 176.50 2krt h PRO 39 N 1.62 0.02 -0.13 1.29 0.11 -1.92 0.02 132.00 133.01 2krt h PRO 39 Ca -0.51 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 2krt h PRO 39 Cb 1.29 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2krt h PRO 39 CO 0.58 0.02 -0.37 1.03 -0.21 0.00 0.00 178.00 179.04 2krt h SER 40 N 0.02 0.29 -0.23 -2.05 0.87 -1.98 -2.06 113.55 108.41 2krt h SER 40 Ca 0.43 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 2krt h SER 40 Cb 0.73 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 2krt h SER 40 CO -0.83 0.64 -0.01 1.56 -0.53 0.00 0.00 176.83 177.66 2krt h GLN 41 N 0.24 0.06 -0.37 2.24 1.08 -1.34 -0.05 115.11 116.98 2krt h GLN 41 Ca 0.03 -0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.07 2krt h GLN 41 Cb 0.77 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2krt h GLN 41 CO 0.06 0.04 -0.39 0.82 -0.95 0.00 0.00 178.83 178.41 2krt h ILE 42 N 0.06 1.27 -0.84 2.54 2.04 -1.46 -3.03 117.51 118.10 2krt h ILE 42 Ca 0.11 -1.56 0.12 0.00 1.00 0.00 0.00 64.86 64.53 2krt h ILE 42 Cb 0.14 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 2krt h ILE 42 CO -0.19 0.52 0.54 0.22 0.00 0.00 0.00 178.15 179.24 2krt h TYR 43 N 0.72 0.78 0.00 1.37 3.20 -1.03 -0.98 116.97 121.02 2krt h TYR 43 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2krt h TYR 43 Cb 0.98 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2krt h TYR 43 CO 0.07 0.32 0.00 1.63 -1.64 0.00 0.00 178.16 178.54 2krt n LYS 44 N -4.53 0.40 0.23 1.82 4.76 -0.06 -3.26 118.16 117.52 2krt n LYS 44 Ca 0.15 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.73 2krt n LYS 44 Cb 0.41 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.35 2krt n LYS 44 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2krt h ASN 45 N 0.00 0.00 -0.39 4.39 -0.26 -1.17 -3.27 115.58 114.89 2krt h ASN 45 Ca 0.00 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.82 2krt h ASN 45 Cb 0.29 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 2krt h ASN 45 CO 0.00 0.00 0.27 1.88 -1.06 0.00 0.00 177.43 178.52 2krt h TYR 46 N 0.00 0.18 0.00 1.19 0.05 -1.67 -1.59 116.97 115.13 2krt h TYR 46 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2krt h TYR 46 Cb 0.93 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.61 2krt h TYR 46 CO 0.00 0.09 0.00 0.66 -1.05 0.00 0.00 178.16 177.86 2krt n TYR 47 N -4.46 0.15 -0.03 4.88 4.02 -1.23 -3.34 117.16 117.14 2krt n TYR 47 Ca 0.05 0.07 -0.08 0.00 -0.01 0.00 0.00 57.90 57.93 2krt n TYR 47 Cb 0.33 -0.61 -0.03 0.00 -0.02 0.00 0.00 39.34 39.02 2krt n TYR 47 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2krt n GLN 48 N -1.64 0.24 0.00 -0.72 1.13 -0.65 -5.15 117.38 110.59 2krt n GLN 48 Ca 0.02 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 2krt n GLN 48 Cb 0.10 -0.91 0.00 0.00 0.11 0.00 0.00 30.24 29.54 2krt n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2krt n GLY 49 N 2.46 3.57 2.81 1.08 0.00 -0.90 -4.94 105.19 109.26 2krt n GLY 49 Ca -0.14 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 2krt n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2krt s ILE 50 N -2.00 0.13 -0.08 -0.61 1.01 -1.26 -0.83 121.20 117.56 2krt s ILE 50 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 2krt s ILE 50 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.19 2krt s ILE 50 CO 0.00 0.13 0.27 -1.61 0.00 0.00 0.00 174.94 173.74 2krt s GLU 51 N 1.03 3.77 -0.46 2.79 0.41 0.30 -4.91 118.70 121.62 2krt s GLU 51 Ca -0.10 0.13 -0.11 0.00 -0.41 0.00 0.00 54.97 54.48 2krt s GLU 51 Cb -0.13 -3.24 0.10 0.00 -1.78 0.00 0.00 34.13 29.08 2krt s GLU 51 CO -0.02 0.66 0.34 0.42 -0.49 0.00 0.00 175.26 176.17 2krt s ILE 52 N -0.82 4.51 -0.67 -1.63 -1.09 -1.26 -0.87 121.20 119.36 2krt s ILE 52 Ca 0.19 -1.50 -0.23 0.00 -2.23 0.00 0.00 60.65 56.88 2krt s ILE 52 Cb -0.14 -3.83 0.06 0.00 -1.58 0.00 0.00 42.46 36.97 2krt s ILE 52 CO 0.08 -0.66 1.02 -1.58 -1.23 0.00 0.00 174.94 172.57 2krt s GLN 53 N 1.46 3.13 0.36 2.79 2.00 -0.46 -4.93 119.66 124.01 2krt s GLN 53 Ca 0.04 -0.72 -0.28 0.00 -2.00 0.00 0.00 55.36 52.40 2krt s GLN 53 Cb -0.25 -4.22 -0.10 0.00 0.80 0.00 0.00 33.01 29.24 2krt s GLN 53 CO 0.02 -1.87 1.36 1.14 -0.50 0.00 0.00 175.29 175.45 2krt s GLN 54 N 4.34 4.21 0.00 1.67 0.00 -1.26 -0.38 119.66 128.24 2krt s GLN 54 Ca 0.24 2.32 0.00 0.00 -0.00 0.00 0.00 55.36 57.92 2krt s GLN 54 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 33.01 29.87 2krt s GLN 54 CO 0.11 -0.35 0.79 1.58 0.00 0.00 0.00 175.29 177.42 2krt n HIS 55 N 0.57 0.00 -3.32 9.60 -0.00 0.57 -4.87 115.22 117.77 2krt n HIS 55 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2krt n HIS 55 Cb 0.41 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 2krt n HIS 55 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2krt n LYS 56 N 0.00 0.00 -1.56 1.57 5.02 -1.07 -4.76 118.16 117.37 2krt n LYS 56 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2krt n LYS 56 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.54 2krt n LYS 56 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2krt n TYR 57 N 0.00 1.00 -0.70 2.13 4.02 -1.26 -4.65 117.16 117.70 2krt n TYR 57 Ca 0.00 -0.09 0.07 0.00 -0.01 0.00 0.00 57.90 57.88 2krt n TYR 57 Cb 0.00 -2.54 0.19 0.00 -0.02 0.00 0.00 39.34 36.97 2krt n TYR 57 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2krt n GLN 58 N 8.35 2.68 -0.00 -0.72 1.13 -1.26 -3.89 117.38 123.67 2krt n GLN 58 Ca 0.44 -2.47 0.07 0.00 -1.94 0.00 0.00 57.00 53.09 2krt n GLN 58 Cb 0.44 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 29.14 2krt n GLN 58 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2krt n ASN 59 N -0.36 1.12 -0.00 1.08 2.85 -1.26 -4.58 115.26 114.10 2krt n ASN 59 Ca 0.16 -0.49 -0.21 0.00 -0.11 0.00 0.00 54.58 53.93 2krt n ASN 59 Cb 0.67 1.25 -0.14 0.00 1.24 0.00 0.00 39.78 42.81 2krt n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2krt h GLU 60 N 0.00 0.23 -4.25 1.20 4.57 -1.96 -3.46 114.58 110.91 2krt h GLU 60 Ca 0.00 -0.39 -0.25 0.00 -1.18 0.00 0.00 59.36 57.54 2krt h GLU 60 Cb 0.44 0.14 -0.23 0.00 -0.16 0.00 0.00 28.75 28.94 2krt h GLU 60 CO 0.00 1.19 -0.73 -0.48 -1.18 0.00 0.00 179.01 177.81 2krt s LEU 61 N -7.50 2.17 -0.11 1.64 2.34 -1.25 -3.01 118.68 112.96 2krt s LEU 61 Ca -0.21 -0.37 -0.09 0.00 0.06 0.00 0.00 54.13 53.52 2krt s LEU 61 Cb 0.05 -0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 2krt s LEU 61 CO 0.75 -0.15 0.19 -0.62 -1.06 0.00 0.00 176.35 175.46 2krt s ASP 62 N -1.05 6.45 -0.23 1.48 2.15 0.08 -4.41 116.67 121.14 2krt s ASP 62 Ca -0.08 0.53 -0.01 0.00 0.43 0.00 0.00 52.55 53.42 2krt s ASP 62 Cb -0.07 -2.10 0.02 0.00 -0.30 0.00 0.00 42.92 40.47 2krt s ASP 62 CO -0.00 0.37 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.64 2krt s ILE 63 N -0.89 2.73 -0.13 4.11 1.01 -1.26 -1.42 121.20 125.35 2krt s ILE 63 Ca 0.16 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2krt s ILE 63 Cb -0.13 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2krt s ILE 63 CO 0.05 0.31 -0.17 -0.54 0.00 0.00 0.00 174.94 174.59 2krt s LYS 64 N 1.33 2.50 -0.30 2.79 1.02 -1.20 -4.99 119.74 120.90 2krt s LYS 64 Ca 0.02 -0.66 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 2krt s LYS 64 Cb -0.15 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2krt s LYS 64 CO -0.06 -0.08 1.01 0.42 -0.92 0.00 0.00 175.35 175.72 2krt s ILE 65 N 1.02 4.60 -0.07 2.17 1.01 -1.26 -1.38 121.20 127.28 2krt s ILE 65 Ca -0.05 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 62.25 2krt s ILE 65 Cb -0.15 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 2krt s ILE 65 CO -0.03 -0.38 0.17 0.40 0.00 0.00 0.00 174.94 175.10 2krt h ILE 66 N 5.65 0.00 -1.51 2.92 2.04 -1.06 -3.49 117.51 122.06 2krt h ILE 66 Ca -0.21 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 64.96 2krt h ILE 66 Cb 1.07 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 36.91 2krt h ILE 66 CO 0.99 0.00 0.61 0.21 0.00 0.00 0.00 178.15 179.97 2krt s ASN 67 N -5.13 -0.31 -0.11 1.72 2.47 -1.24 -5.04 114.94 107.29 2krt s ASN 67 Ca -0.02 0.32 -0.25 0.00 0.42 0.00 0.00 52.86 53.33 2krt s ASN 67 Cb 0.00 0.26 -0.02 0.00 -1.45 0.00 0.00 41.25 40.04 2krt s ASN 67 CO 0.06 -0.30 0.81 -0.36 -3.72 0.00 0.00 177.10 173.59 2krt s PHE 68 N -1.21 3.50 0.17 0.43 0.08 -1.26 -2.45 117.98 117.24 2krt s PHE 68 Ca 0.00 1.31 0.08 0.00 0.12 0.00 0.00 56.93 58.44 2krt s PHE 68 Cb -0.01 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2krt s PHE 68 CO -0.00 -0.10 -0.16 -0.48 -0.10 0.00 0.00 175.22 174.37 2krt s LEU 69 N 1.55 2.47 0.28 -0.37 2.34 -0.82 -4.94 118.68 119.18 2krt s LEU 69 Ca 0.40 -0.90 -0.29 0.00 0.06 0.00 0.00 54.13 53.39 2krt s LEU 69 Cb -0.18 -0.73 -0.09 0.00 -0.56 0.00 0.00 46.19 44.63 2krt s LEU 69 CO 0.16 -0.10 1.13 -0.31 -1.06 0.00 0.00 176.35 176.17 2krt s TYR 70 N -2.36 3.52 0.06 3.48 2.02 -1.26 -0.45 117.35 122.36 2krt s TYR 70 Ca 0.17 1.65 -0.37 0.00 -0.37 0.00 0.00 57.07 58.15 2krt s TYR 70 Cb -0.04 -3.33 -0.20 0.00 -0.40 0.00 0.00 41.96 37.99 2krt s TYR 70 CO 0.06 -0.72 1.58 -1.00 -1.57 0.00 0.00 175.55 173.90 2krt h PRO 71 N 3.89 -1.23 -0.01 -1.71 0.13 -1.90 -2.90 132.00 128.28 2krt h PRO 71 Ca -0.47 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2krt h PRO 71 Cb 1.21 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.62 2krt h PRO 71 CO 0.67 -0.82 -0.02 -0.25 -0.23 0.00 0.00 178.00 177.35 2krt n ASP 72 N -5.64 0.57 0.00 1.44 9.92 -1.26 -4.93 116.55 116.65 2krt n ASP 72 Ca -0.16 -1.05 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 2krt n ASP 72 Cb 0.51 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2krt n GLY 73 N 1.12 1.83 3.70 0.44 0.00 -1.10 -4.99 105.19 106.19 2krt n GLY 73 Ca 0.20 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2krt n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2krt n ASP 74 N 2.14 3.92 -0.29 1.61 9.92 -1.26 -4.80 116.55 127.79 2krt n ASP 74 Ca 0.00 1.03 0.05 0.00 -0.53 0.00 0.00 54.79 55.33 2krt n ASP 74 Cb 0.00 -1.54 0.26 0.00 -0.64 0.00 0.00 41.12 39.20 2krt n ASP 74 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2krt h PHE 75 N 7.59 1.00 0.08 1.24 -0.00 -1.99 -2.95 116.94 121.90 2krt h PHE 75 Ca -0.45 0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 57.54 2krt h PHE 75 Cb 1.22 -0.33 0.00 0.00 -0.00 0.00 0.00 35.95 36.84 2krt h PHE 75 CO 0.72 0.51 -0.04 0.78 -0.00 0.00 0.00 178.31 180.28 2krt h GLY 76 N 0.97 -0.11 1.25 6.09 0.00 -2.02 -3.25 103.07 106.00 2krt h GLY 76 Ca 0.39 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.82 2krt h GLY 76 CO -0.15 -0.04 0.31 0.23 0.00 0.00 0.00 176.54 176.90 2krt h SER 77 N -0.52 0.00 0.16 0.19 0.87 -1.92 0.12 113.55 112.45 2krt h SER 77 Ca -0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2krt h SER 77 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2krt h SER 77 CO 0.02 0.00 -0.25 0.00 -0.53 0.00 0.00 176.83 176.07 2krt h ALA 78 N 1.58 1.42 0.04 6.23 0.00 -1.57 -3.27 119.26 123.68 2krt h ALA 78 Ca 0.10 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 2krt h ALA 78 Cb 0.73 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2krt h ALA 78 CO -0.00 0.41 -1.09 -0.91 0.00 0.00 0.00 179.25 177.66 2krt h ASN 79 N 0.15 0.81 -0.72 0.00 2.35 -0.90 0.32 115.58 117.58 2krt h ASN 79 Ca 0.02 -0.69 0.16 0.00 -0.55 0.00 0.00 56.30 55.25 2krt h ASN 79 Cb 0.52 -0.25 -0.12 0.00 0.05 0.00 0.00 38.32 38.52 2krt h ASN 79 CO 0.04 1.49 0.07 0.07 -1.65 0.00 0.00 177.43 177.45 2krt h LYS 80 N 0.32 0.16 -0.01 0.81 2.10 -1.60 -0.87 116.57 117.48 2krt h LYS 80 Ca -0.14 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2krt h LYS 80 Cb 1.75 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.04 2krt h LYS 80 CO 0.21 0.10 -0.08 0.09 -2.00 0.00 0.00 179.45 177.77 2krt n ASN 81 N -5.27 1.34 -3.47 7.07 4.13 -1.25 -2.97 115.26 114.83 2krt n ASN 81 Ca 0.13 -1.17 -0.22 0.00 1.68 0.00 0.00 54.58 55.01 2krt n ASN 81 Cb 0.45 0.25 0.06 0.00 -1.54 0.00 0.00 39.78 39.00 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2krt n GLY 82 N 0.63 -0.93 3.25 7.41 0.00 0.06 -4.61 105.19 111.01 2krt n GLY 82 Ca 0.04 0.44 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 2krt n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krt s THR 83 N -3.45 1.68 0.02 2.61 -4.23 -0.97 -3.12 115.64 108.18 2krt s THR 83 Ca 0.37 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 2krt s THR 83 Cb -0.08 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 2krt s THR 83 CO 0.79 0.22 -0.07 -0.76 -0.54 0.00 0.00 174.62 174.26 2krt s LEU 84 N -1.16 2.13 -0.37 4.79 1.43 -1.11 -4.45 118.68 119.95 2krt s LEU 84 Ca 0.08 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2krt s LEU 84 Cb -0.09 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.88 2krt s LEU 84 CO 0.02 -0.06 0.66 -0.54 0.23 0.00 0.00 176.35 176.67 2krt s LYS 85 N -0.87 3.62 -0.51 1.70 1.02 0.40 -1.73 119.74 123.37 2krt s LYS 85 Ca -0.03 0.03 -0.28 0.00 0.02 0.00 0.00 55.97 55.70 2krt s LYS 85 Cb -0.06 -3.83 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 2krt s LYS 85 CO 0.00 -0.81 1.32 -0.51 -0.92 0.00 0.00 175.35 174.44 2krt s LEU 86 N 2.81 3.50 -0.67 3.17 1.02 0.55 -1.95 118.68 127.10 2krt s LEU 86 Ca 0.25 0.43 -0.25 0.00 0.02 0.00 0.00 54.13 54.58 2krt s LEU 86 Cb -0.14 -3.30 0.04 0.00 0.02 0.00 0.00 46.19 42.81 2krt s LEU 86 CO 0.16 -1.51 1.13 -0.55 0.02 0.00 0.00 176.35 175.60 2krt s SER 87 N 3.67 6.22 -0.15 2.29 0.15 -1.03 -1.44 113.70 123.41 2krt s SER 87 Ca 0.52 -0.54 -0.05 0.00 0.70 0.00 0.00 55.95 56.58 2krt s SER 87 Cb -0.10 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2krt s SER 87 CO 0.28 -1.60 0.02 -0.76 1.20 0.00 0.00 173.24 172.38 2krt s LEU 88 N 4.92 3.60 -0.48 3.45 1.02 -0.37 -0.34 118.68 130.48 2krt s LEU 88 Ca 0.31 0.03 -0.15 0.00 0.02 0.00 0.00 54.13 54.35 2krt s LEU 88 Cb -0.11 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.30 2krt s LEU 88 CO 0.15 0.22 0.40 0.00 0.02 0.00 0.00 176.35 177.14 2krt s MET 89 N 0.10 2.94 -0.16 1.70 0.23 -0.48 -0.83 119.30 122.81 2krt s MET 89 Ca 0.03 -1.43 -0.25 0.00 -1.03 0.00 0.00 55.69 53.01 2krt s MET 89 Cb -0.13 -4.13 -0.02 0.00 -1.53 0.00 0.00 34.83 29.03 2krt s MET 89 CO 0.02 -1.08 0.83 -0.51 -2.03 0.00 0.00 175.02 172.25 2krt s LEU 90 N 1.61 4.19 -0.32 0.18 2.01 0.17 -3.22 118.68 123.30 2krt s LEU 90 Ca 0.04 1.19 -0.08 0.00 0.01 0.00 0.00 54.13 55.29 2krt s LEU 90 Cb -0.25 -3.24 0.02 0.00 0.01 0.00 0.00 46.19 42.73 2krt s LEU 90 CO 0.06 -0.38 0.11 -0.89 1.01 0.00 0.00 176.35 176.26 2krt s THR 91 N 2.04 4.06 0.55 5.49 2.01 -0.50 -0.27 115.64 129.01 2krt s THR 91 Ca 0.39 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 2krt s THR 91 Cb -0.17 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 2krt s THR 91 CO 0.13 -0.03 1.08 -0.62 -0.69 0.00 0.00 174.62 174.50 2krt s ASP 92 N 1.49 5.84 -0.08 3.53 2.15 -0.67 -0.74 116.67 128.20 2krt s ASP 92 Ca 0.02 2.00 0.18 0.00 0.43 0.00 0.00 52.55 55.18 2krt s ASP 92 Cb -0.18 -2.56 -0.23 0.00 -0.30 0.00 0.00 42.92 39.65 2krt s ASP 92 CO 0.03 -1.13 0.41 0.29 -0.17 0.00 0.00 175.17 174.61 2krt n LYS 93 N -1.49 0.66 -0.06 4.34 4.76 -1.16 -2.82 118.16 122.38 2krt n LYS 93 Ca 0.10 0.06 -0.22 0.00 -2.87 0.00 0.00 58.31 55.38 2krt n LYS 93 Cb 0.52 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.95 2krt n LYS 93 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2krt n LYS 94 N -2.74 0.67 0.07 1.97 2.85 -1.26 -4.31 118.16 115.41 2krt n LYS 94 Ca -0.20 0.32 0.09 0.00 -1.05 0.00 0.00 58.31 57.47 2krt n LYS 94 Cb 0.97 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 33.64 2krt n LYS 94 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2krt n ASN 95 N -3.77 0.70 -2.19 -5.58 3.02 -1.26 -4.99 115.26 101.20 2krt n ASN 95 Ca -0.37 0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 54.28 2krt n ASN 95 Cb 0.93 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.76 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 96 N -2.65 -5.30 -4.96 6.41 3.02 -1.13 -5.01 115.26 105.64 2krt n ASN 96 Ca -0.03 -0.07 -0.22 0.00 -0.03 0.00 0.00 54.58 54.23 2krt n ASN 96 Cb 0.61 -4.32 -0.02 0.00 -0.61 0.00 0.00 39.78 35.44 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 97 N -5.05 3.44 -0.06 3.52 -1.52 -1.26 -4.82 119.66 113.90 2krt s GLN 97 Ca 0.06 -0.66 -0.03 0.00 -1.95 0.00 0.00 55.36 52.78 2krt s GLN 97 Cb -0.03 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 29.89 2krt s GLN 97 CO 0.08 0.35 0.09 0.54 -0.25 0.00 0.00 175.29 176.09 2krt s VAL 98 N -2.07 4.92 0.08 1.09 0.11 -1.26 -1.66 120.40 121.60 2krt s VAL 98 Ca 0.36 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 2krt s VAL 98 Cb -0.09 -3.17 -0.03 0.00 -1.53 0.00 0.00 36.38 31.55 2krt s VAL 98 CO 0.31 0.50 -0.10 -0.47 -3.33 0.00 0.00 175.10 172.01 2krt s TYR 99 N -1.07 0.96 -0.04 1.54 5.04 0.63 -4.98 117.35 119.42 2krt s TYR 99 Ca 0.18 -0.60 0.07 0.00 -2.44 0.00 0.00 57.07 54.27 2krt s TYR 99 Cb -0.12 -0.54 -0.02 0.00 0.35 0.00 0.00 41.96 41.64 2krt s TYR 99 CO 0.08 -0.03 -0.25 0.71 -1.34 0.00 0.00 175.55 174.72 2krt s TYR 100 N -2.06 2.41 -0.04 4.97 2.02 -1.26 0.42 117.35 123.81 2krt s TYR 100 Ca 0.00 -0.57 -0.00 0.00 -0.37 0.00 0.00 57.07 56.13 2krt s TYR 100 Cb -0.05 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2krt s TYR 100 CO 0.00 -0.12 0.02 0.21 -1.57 0.00 0.00 175.55 174.09 2krt s LYS 101 N -0.38 0.20 -0.39 -0.62 2.47 -0.01 -4.97 119.74 116.03 2krt s LYS 101 Ca 0.03 0.17 -0.13 0.00 -1.56 0.00 0.00 55.97 54.48 2krt s LYS 101 Cb -0.12 -0.52 0.02 0.00 -1.46 0.00 0.00 37.83 35.75 2krt s LYS 101 CO 0.02 -0.21 0.26 -0.51 0.16 0.00 0.00 175.35 175.07 2krt s LEU 102 N 1.43 4.94 -0.44 5.43 2.01 -1.26 -1.23 118.68 129.57 2krt s LEU 102 Ca -0.04 -0.93 -0.07 0.00 0.01 0.00 0.00 54.13 53.10 2krt s LEU 102 Cb -0.13 -2.11 0.11 0.00 0.01 0.00 0.00 46.19 44.07 2krt s LEU 102 CO -0.03 -0.42 0.27 -0.76 1.01 0.00 0.00 176.35 176.43 2krt s LEU 103 N 1.63 5.40 -0.61 1.79 1.43 -0.52 -4.87 118.68 122.94 2krt s LEU 103 Ca 0.04 -1.86 -0.26 0.00 -1.03 0.00 0.00 54.13 51.01 2krt s LEU 103 Cb -0.19 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.13 2krt s LEU 103 CO 0.09 -0.60 1.11 -1.83 0.23 0.00 0.00 176.35 175.34 2krt s GLU 104 N 1.30 3.36 0.20 1.70 -1.05 -1.26 -0.33 118.70 122.61 2krt s GLU 104 Ca 0.06 -0.10 0.04 0.00 -0.15 0.00 0.00 54.97 54.83 2krt s GLU 104 Cb -0.24 -4.08 -0.03 0.00 -0.44 0.00 0.00 34.13 29.34 2krt s GLU 104 CO -0.01 -1.72 0.27 0.14 0.95 0.00 0.00 175.26 174.88 2krt s VAL 105 N 4.71 5.03 0.15 1.83 -7.23 -0.71 -4.89 120.40 119.29 2krt s VAL 105 Ca 0.36 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.65 2krt s VAL 105 Cb -0.10 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2krt s VAL 105 CO 0.20 -0.21 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.23 2krt s SER 106 N -3.54 4.23 0.00 4.85 0.01 -1.26 -2.74 113.70 115.24 2krt s SER 106 Ca 0.33 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2krt s SER 106 Cb -0.10 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2krt s SER 106 CO 0.27 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2krt n GLY 107 N 0.32 1.27 0.35 3.44 0.00 -1.20 -5.03 105.19 104.34 2krt n GLY 107 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2krt n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2krt h PHE 108 N 0.00 -0.93 -2.78 1.61 0.04 -1.67 -3.37 116.94 109.83 2krt h PHE 108 Ca 0.00 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 2krt h PHE 108 Cb 0.00 0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2krt h PHE 108 CO 0.00 -0.44 0.04 1.63 -0.60 0.00 0.00 178.31 178.94 2krt n LYS 109 N -5.42 0.49 -3.08 1.51 4.76 -1.25 -3.87 118.16 111.30 2krt n LYS 109 Ca -0.06 -1.31 0.00 0.00 -2.87 0.00 0.00 58.31 54.07 2krt n LYS 109 Cb 0.34 1.44 -0.00 0.00 -1.84 0.00 0.00 35.03 34.96 2krt n LYS 109 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2krt s SER 110 N -2.11 -1.38 -0.55 4.39 1.04 -1.26 -3.10 113.70 110.73 2krt s SER 110 Ca 0.12 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.72 2krt s SER 110 Cb -0.02 1.78 0.22 0.00 0.10 0.00 0.00 66.02 68.10 2krt s SER 110 CO 0.08 -0.13 0.56 0.59 0.98 0.00 0.00 173.24 175.32 2krt n ASN 111 N 4.05 1.88 0.00 7.02 4.13 -0.37 -5.00 115.26 126.96 2krt n ASN 111 Ca 0.12 -3.00 0.00 0.00 1.68 0.00 0.00 54.58 53.38 2krt n ASN 111 Cb 0.58 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 2krt n ASN 111 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2krt n PRO 112 N 1.60 0.00 0.18 3.52 -0.02 -1.18 -2.71 135.00 136.38 2krt n PRO 112 Ca 0.25 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 2krt n PRO 112 Cb 0.44 -0.90 0.59 0.00 -0.02 0.00 0.00 33.50 33.62 2krt n PRO 112 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2krt h TYR 113 N 0.00 0.13 0.00 6.00 -0.00 -1.94 -1.10 116.97 120.06 2krt h TYR 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2krt h TYR 113 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 36.69 2krt h TYR 113 CO 0.03 0.08 0.00 1.28 -0.00 0.00 0.00 178.16 179.55 2krt n LEU 114 N -4.51 0.32 0.25 0.10 4.77 -1.26 -1.79 117.00 114.88 2krt n LEU 114 Ca -0.00 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 2krt n LEU 114 Cb 0.13 -0.52 0.65 0.00 -2.33 0.00 0.00 43.42 41.34 2krt n LEU 114 CO 0.34 -0.37 0.92 -0.08 -1.33 0.00 0.00 177.39 176.88 2krt h GLU 115 N 0.00 0.00 0.00 3.23 4.81 -0.98 -3.46 114.58 118.18 2krt h GLU 115 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2krt h GLU 115 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2krt h GLU 115 CO 0.00 0.16 0.00 0.72 -0.73 0.00 0.00 179.01 179.16 2krt n HIS 116 N -3.58 0.00 -2.79 0.92 8.25 -0.74 -4.90 115.22 112.38 2krt n HIS 116 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2krt n HIS 116 Cb 0.29 -1.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.84 2krt n HIS 116 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2krt s HIS 117 N -1.16 2.66 -0.29 4.41 5.04 -1.26 -4.93 115.29 119.76 2krt s HIS 117 Ca 0.00 -0.62 -0.15 0.00 -1.54 0.00 0.00 55.06 52.75 2krt s HIS 117 Cb 0.00 -4.38 0.15 0.00 0.04 0.00 0.00 32.58 28.38 2krt s HIS 117 CO 0.00 -1.72 0.94 -3.38 -2.34 0.00 0.00 174.74 168.23 2krt s HIS 118 N 4.21 -0.70 0.42 3.88 -3.43 -1.26 -5.12 115.29 113.28 2krt s HIS 118 Ca 0.28 1.31 -0.24 0.00 -0.80 0.00 0.00 55.06 55.61 2krt s HIS 118 Cb -0.12 0.42 -0.08 0.00 -1.43 0.00 0.00 32.58 31.37 2krt s HIS 118 CO 0.06 -0.35 1.10 -3.38 -2.00 0.00 0.00 174.74 170.18 2krt s HIS 119 N 1.92 3.12 0.18 0.38 -3.43 -1.26 -4.97 115.29 111.23 2krt s HIS 119 Ca -0.06 1.60 -0.13 0.00 -0.80 0.00 0.00 55.06 55.66 2krt s HIS 119 Cb -0.05 -3.24 0.08 0.00 -1.43 0.00 0.00 32.58 27.94 2krt s HIS 119 CO -0.17 -0.99 1.82 1.25 -2.00 0.00 0.00 174.74 174.65 2krt h HIS 120 N 2.40 0.76 -0.02 0.38 2.76 -2.02 -3.57 115.15 115.85 2krt h HIS 120 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2krt h HIS 120 Cb 1.23 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.94 2krt h HIS 120 CO 0.56 0.51 0.00 1.58 -1.30 0.00 0.00 177.93 179.28